Compound Identification
SMILES
CC(C)(C)NN.CC1=C(C=CC=C1Br)C(Cl)=O
InChIKey
InChIKey=GJDNBUUHSHXDBK-UHFFFAOYSA-N
Formula
C12H18BrClN2O
Mass
321.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Alkylhydrazines Acyl chlorides Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-halobenzoic acid or derivatives - Benzoyl - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Alkylhydrazine - Acyl halide - Acyl chloride - Organic oxygen compound - Organobromide - Organohalogen compound - Hydrazine derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available